Molecular Properties | |
SMILES: | Clc1cccc(CC2(c3ccc4cc3C4)CCOCC2)c1 |
MW: | 298.11 |
Fraction sp3: | 0.37 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 9.23 |
cLogP: | 4.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-23
0.592
SAD-SAT-7d5528d9-10
0.541
SAD-SAT-7d5528d9-5
0.500
SAD-SAT-7d5528d9-56
0.438
SAD-SAT-7d5528d9-50
0.405
SAD-SAT-7d5528d9-17
0.378
SAD-SAT-7d5528d9-21
0.368
SAD-SAT-7d5528d9-54
0.349
SAD-SAT-7d5528d9-12
0.341
JOH-IMS-1436231f-6
0.338
AAR-POS-0daf6b7e-29
0.338
SAD-SAT-7d5528d9-4
0.330
SAD-SAT-7d5528d9-53
0.311
SAD-SAT-7d5528d9-45
0.310
SAD-SAT-7d5528d9-46
0.306
SAD-SAT-7d5528d9-52
0.304
PET-UNK-f92d7c0c-1
0.304
PET-UNK-f92d7c0c-6
0.304
PET-UNK-f92d7c0c-5
0.299
PET-UNK-f92d7c0c-4
0.299
SAD-SAT-7d5528d9-40
0.278
SAD-SAT-7d5528d9-38
0.275
SAD-SAT-7d5528d9-24
0.264
BAR-COM-ebf5acce-11
0.263
DAN-LON-a5fc619e-2
0.262
PET-UNK-f92d7c0c-7
0.259
SAD-SAT-7d5528d9-15
0.256
MAT-POS-0bc33984-2
0.253
PET-UNK-f92d7c0c-3
0.253
ASH-SAT-43770c7d-3
0.253
SAD-SAT-7d5528d9-18
0.253
SAD-SAT-7d5528d9-19
0.250
PET-UNK-f92d7c0c-2
0.250
RUB-POS-1325a9ea-20
0.250
PET-UNK-f92d7c0c-8
0.250
DAR-DIA-b80f1cd7-13
0.248
BAR-COM-ebf5acce-1
0.247
MIC-UNK-fc94cdb5-1
0.247
JOH-UNI-0e1753c1-2
0.244
AAR-POS-d2a4d1df-35
0.244
MED-COV-4280ac29-15
0.244
HYO-UNK-49a60884-1
0.244
JOH-UNI-0e1753c1-3
0.244
TRY-UNI-9f475305-7
0.242
SAD-SAT-7d5528d9-13
0.242
MIC-UNK-13557a72-1
0.241
JOH-UNI-0e1753c1-1
0.241
DAR-DIA-b80f1cd7-3
0.241
NAM-UNK-f7c77a48-3
0.241
SAD-SAT-7d5528d9-11
0.239
MAR-TRE-04c86cea-78
0.239
ARI-TAT-5792557e-6
0.239
MAK-UNK-6ca90168-13
0.237
ALP-POS-8b8a49e1-7
0.237
JOH-UNI-23d9e1b1-1
0.237
ROB-UNI-daaf9793-4
0.236
JIN-POS-6dc588a4-2
0.236
ROB-CAM-6936528f-1
0.236
EDG-MED-0da5ad92-18
0.235
MED-COV-4280ac29-11
0.235
MIC-UNK-42806bd5-1
0.235
MAT-POS-500ca5bf-2
0.235
ALP-POS-90e38439-2
0.235
SAD-SAT-7d5528d9-49
0.234
NAU-LAT-e1818702-5
0.234
DAR-DIA-b80f1cd7-11
0.234
ROB-UNI-daaf9793-3
0.233
JAG-UCB-a3ef7265-1
0.232
MAT-POS-6da3605a-2
0.232
SAD-SAT-b55127ae-1
0.232
JAG-UCB-cedd89ab-2
0.232
ALP-POS-90e38439-3
0.232
MIC-UNK-42806bd5-2
0.232
ALP-POS-8b8a49e1-5
0.232
JAG-UCB-ef2c0e8e-5
0.232
EDJ-MED-976da9a6-1
0.232
MAT-POS-bb423b95-8
0.231
RUB-POS-1325a9ea-6
0.231
MAT-POS-90fd5f68-8
0.230
BAR-COM-ebf5acce-13
0.230
MAT-POS-90fd5f68-11
0.229
BAR-COM-ebf5acce-9
0.229
AAR-RCN-28a8122f-1
0.229
EDJ-MED-49816e9b-2
0.229
SAD-SAT-7d5528d9-47
0.228
MIC-UNK-b12b7f76-2
0.227
SAD-SAT-7d5528d9-36
0.227
MAT-POS-f7918075-7
0.226
RUB-POS-1325a9ea-1
0.226
JAN-GHE-5a013bed-9
0.225
DAN-LON-a5fc619e-4
0.225
RUB-POS-1325a9ea-24
0.225
SAD-SAT-7d5528d9-42
0.224
MAT-POS-c20a539d-8
0.224
AAR-RCN-845f9611-1
0.224
AAR-RCN-521d1733-1
0.224
EDJ-MED-c8e7a002-3
0.223
MAT-POS-90fd5f68-38
0.223
MIC-UNK-4fbd4db9-2
0.222
MIC-UNK-4fbd4db9-6
0.222